| SpectraBase Compound ID | LLDFqNUjm7x |
|---|---|
| InChI | InChI=1S/C30H54O2/c1-21(2)7-6-8-22(3)25-11-12-26-24-10-9-23-19-30(20-32,17-18-31)16-15-28(23,4)27(24)13-14-29(25,26)5/h21-27,31-32H,6-20H2,1-5H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | LZULEFUMGOCJIE-AXBXCNGTSA-N |
| Mol Weight | 446.8 g/mol |
| Molecular Formula | C30H54O2 |
| Exact Mass | 446.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4S5CDEYD0S |
|---|---|
| Name | 3.alpha.-(2'-Hydroxyethyl)-3.beta.-(hydroxymethyl)-5.alpha.-cholestane |
| Alternate Name(s) | 2-[(3beta,5alpha)-3-(hydroxymethyl)cholestan-3-yl]ethanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H54O2 |
| InChI | InChI=1S/C30H54O2/c1-21(2)7-6-8-22(3)25-11-12-26-24-10-9-23-19-30(20-32,17-18-31)16-15-28(23,4)27(24)13-14-29(25,26)5/h21-27,31-32H,6-20H2,1-5H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-/m1/s1 |
| InChIKey | LZULEFUMGOCJIE-AXBXCNGTSA-N |
| Molecular Weight | 446.760 g/mol |
| SMILES | OC[C@@]1(CCO)CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C1)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C |
| SPLASH | splash10-0005-8900100000-f1a43c03b59972ab3406 |
| Source of Spectrum | U-1993-1109-13 |
| Wiley ID | 765313 |